2,4-dichloro-N-[(2R)-1-[(1-ethylpiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide

C19H27Cl2N3O2 — CID 42014895

IUPAC2,4-dichloro-N-[(2R)-1-[(1-ethylpiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCCN1CCC(NC(=O)[C@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)CC1
InChIInChI=1S/C19H27Cl2N3O2/c1-4-24-9-7-14(8-10-24)22-19(26)17(12(2)3)23-18(25)15-6-5-13(20)11-16(15)21/h5-6,11-12,14,17H,4,7-10H2,1-3H3,(H,22,26)(H,23,25)/t17-/m1/s1
InChIKeyDVIVTJHZVYXHKU-QGZVFWFLSA-N
MW400.35 g/mol
LogP3.35
Rot. Bonds6

About 2,4-dichloro-N-[(2R)-1-[(1-ethylpiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide

2,4-dichloro-N-[(2R)-1-[(1-ethylpiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 42014895) has the molecular formula C19H27Cl2N3O2 and a molecular weight of 400.35 g/mol. Its IUPAC name is 2,4-dichloro-N-[(2R)-1-[(1-ethylpiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(2R)-1-[(1-ethylpiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID42014895
Molecular FormulaC19H27Cl2N3O2
Molecular Weight400.35 g/mol
Exact Mass399.15
IUPAC Name2,4-dichloro-N-[(2R)-1-[(1-ethylpiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCCN1CCC(NC(=O)[C@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)CC1
InChIInChI=1S/C19H27Cl2N3O2/c1-4-24-9-7-14(8-10-24)22-19(26)17(12(2)3)23-18(25)15-6-5-13(20)11-16(15)21/h5-6,11-12,14,17H,4,7-10H2,1-3H3,(H,22,26)(H,23,25)/t17-/m1/s1
InChIKeyDVIVTJHZVYXHKU-QGZVFWFLSA-N
XLogP3.35
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.35
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[3-methyl-1-oxo-1-[(1-prop-2-enylpiperidin-4-yl)amino]butan-2-yl]benzamide
CID 86894333
2,4-dichloro-N-(1-ethylpiperidin-4-yl)benzamide
CID 17174058
2,4-dichloro-N-[1-(4-ethylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]benzamide
CID 134016848
4-chloro-N-[3-methyl-1-oxo-1-[(1-propylpiperidin-4-yl)amino]butan-2-yl]benzamide
CID 78809641
2,4-dichloro-N-[(2S)-3-methyl-1-[[(2S)-3-methyl-2-morpholin-4-ylbutyl]amino]-1-oxobutan-2-yl]benzamide
CID 25497250
2,4-dichloro-N-[(2R)-3-methyl-1-[[(2S)-3-methyl-2-morpholin-4-ylbutyl]amino]-1-oxobutan-2-yl]benzamide
CID 25497257
4-chloro-N-[3-methyl-1-oxo-1-[(1-propylpiperidin-4-yl)amino]pentan-2-yl]benzamide
CID 78809540
N-[1-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide
CID 134047768
2-chloro-N-[(2R)-3-methyl-1-[(4-methylcyclohexyl)amino]-1-oxobutan-2-yl]benzamide
CID 51865236
4-fluoro-N-[3-methyl-1-oxo-1-[(1-propylpiperidin-4-yl)amino]butan-2-yl]benzamide
CID 78810006
N-[1-(2-benzamidoethylamino)-3-methyl-1-oxobutan-2-yl]-2,4-dichlorobenzamide
CID 134046490
2,4-dichloro-N-[3-methyl-1-[2-(3-methylmorpholin-4-yl)propylamino]-1-oxobutan-2-yl]benzamide
CID 86941061

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(2R)-1-[(1-ethylpiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[(2R)-1-[(1-ethylpiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide (CID 42014895) is 2,4-dichloro-N-[(2R)-1-[(1-ethylpiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(2R)-1-[(1-ethylpiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(2R)-1-[(1-ethylpiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide is CCN1CCC(NC(=O)[C@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)CC1.
What is the InChIKey of 2,4-dichloro-N-[(2R)-1-[(1-ethylpiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is DVIVTJHZVYXHKU-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H27Cl2N3O2/c1-4-24-9-7-14(8-10-24)22-19(26)17(12(2)3)23-18(25)15-6-5-13(20)11-16(15)21/h5-6,11-12,14,17H,4,7-10H2,1-3H3,(H,22,26)(H,23,25)/t17-/m1/s1.
What are the key properties of 2,4-dichloro-N-[(2R)-1-[(1-ethylpiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide?
2,4-dichloro-N-[(2R)-1-[(1-ethylpiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 400.35 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(2R)-1-[(1-ethylpiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 42014895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).